Search Results - "Haghighi Mood, Kaveh"

Accelerating Lagrangian transport simulations on graphics processing units: performance optimizations of Massive-Parallel Trajectory Calculations (MPTRAC) v2.6 by Hoffmann, Lars, Haghighi Mood, Kaveh, Herten, Andreas, Hrywniak, Markus, Kraus, Jiri, Clemens, Jan, Liu, Mingzhao

“…Lagrangian particle dispersion models are indispensable tools for the study of atmospheric transport processes. However, Lagrangian transport simulations can…”
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Massive-Parallel Trajectory Calculations version 2.2 (MPTRAC-2.2): Lagrangian transport simulations on graphics processing units (GPUs) by Hoffmann, Lars, Baumeister, Paul F., Cai, Zhongyin, Clemens, Jan, Griessbach, Sabine, Günther, Gebhard, Heng, Yi, Liu, Mingzhao, Haghighi Mood, Kaveh, Stein, Olaf, Thomas, Nicole, Vogel, Bärbel, Wu, Xue, Zou, Ling

“…Lagrangian models are fundamental tools to study atmospheric transport processes and for practical applications such as dispersion modeling for anthropogenic…”
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Full Wave Function Optimization with Quantum Monte CarloA Study of the Dissociation Energies of ZnO, FeO, FeH, and CrS by Ludovicy, Jil, Mood, Kaveh Haghighi, Lüchow, Arne

“…The dissociation energies of four transition-metal dimers are determined using diffusion Monte Carlo. The Jastrow, configuration interaction, and molecular…”
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Full Wave Function Optimization with Quantum Monte Carlo and Its Effect on the Dissociation Energy of FeS by Haghighi Mood, Kaveh, Lüchow, Arne

“…Diffusion quantum Monte Carlo calculations with partial and full optimization of the guide function are carried out for the dissociation of the FeS molecule…”
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A Modular Workflow for Performance Benchmarking of Neuronal Network Simulations by Albers, Jasper, Pronold, Jari, Kurth, Anno Christopher, Vennemo, Stine Brekke, Haghighi Mood, Kaveh, Patronis, Alexander, Terhorst, Dennis, Jordan, Jakob, Kunkel, Susanne, Tetzlaff, Tom, Diesmann, Markus, Senk, Johanna

“…Modern computational neuroscience strives to develop complex network models to explain dynamics and function of brains in health and disease. This process goes…”
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DFT/B3LYP study of the substituent effect on the reaction enthalpies of the individual steps of single electron transfer–proton transfer and sequential proton loss electron transfer mechanisms of chroman derivatives antioxidant action by Najafi, Meysam, Mood, Kaveh Haghighi, Zahedi, Mansour, Klein, Erik

“…In this paper, the study of various ortho and meta-substituted chroman-6-ol derivatives is presented. The reaction enthalpies related to the individual steps…”
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DFT/B3LYP study of the substituent effects on OH bond dissociation enthalpies of chroman derivatives in the gas phase and solvent environment by Najafi, Meysam, Nazarparvar, Elyas, Mood, Kaveh Haghighi, Zahedi, Mansour, Klein, Erik

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Full Wave Function Optimization with Quantum Monte Carlo -- A study of the Dissociation Energies of ZnO, FeO, FeH, and CrS by Ludovicy, Jil, Mood, Kaveh Haghighi, Lüchow, Arne

“…The dissociation energies of four transition metal dimers are determined using diffusion Monte Carlo. The Jastrow, CI, and molecular orbital parameters of the…”
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Application-Driven Exascale: The JUPITER Benchmark Suite by Herten, Andreas, Achilles, Sebastian, Alvarez, Damian, Badwaik, Jayesh, Behle, Eric, Bode, Mathis, Breuer, Thomas, Caviedes-Voullième, Daniel, Cherti, Mehdi, Dabah, Adel, Sayed, Salem El, Frings, Wolfgang, Gonzalez-Nicolas, Ana, Gregory, Eric B, Mood, Kaveh Haghighi, Hater, Thorsten, Jitsev, Jenia, John, Chelsea Maria, Meinke, Jan H, Meyer, Catrin I, Mezentsev, Pavel, Mirus, Jan-Oliver, Nassyr, Stepan, Penke, Carolin, Römmer, Manoel, Sinha, Ujjwal, Vieth, Benedikt von St, Stein, Olaf, Suarez, Estela, Willsch, Dennis, Zhukov, Ilya

“…2024 SC24: International Conference for High Performance Computing, Networking, Storage and Analysis SC Benchmarks are essential in the design of modern HPC…”
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A Modular Workflow for Performance Benchmarking of Neuronal Network Simulations by Albers, Jasper, Pronold, Jari, Kurth, Anno Christopher, Vennemo, Stine Brekke, Mood, Kaveh Haghighi, Patronis, Alexander, Terhorst, Dennis, Jordan, Jakob, Kunkel, Susanne, Tetzlaff, Tom, Diesmann, Markus, Senk, Johanna

“…Front. Neuroinform. 16:837549 (2022) Modern computational neuroscience strives to develop complex network models to explain dynamics and function of brains in…”
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Full wave function optimization with quantum Monte Carlo and its effect on the dissociation energy of FeS by Mood, Kaveh Haghighi, Lüchow, Arne

“…Diffusion quantum Monte Carlo calculations with partial and full optimization of the guide function are carried out for the dissociation of the FeS molecule…”
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Massive-Parallel Trajectory Calculations version 2.2 by Hoffmann, Lars, Baumeister, Paul F, Cai, Zhongyin, Clemens, Jan, Griessbach, Sabine, Günther, Gebhard, Heng, Yi, Liu, Mingzhao, Haghighi Mood, Kaveh, Stein, Olaf, Thomas, Nicole, Vogel, Bärbel, Wu, Xue, Zou, Ling

“…Lagrangian models are fundamental tools to study atmospheric transport processes and for practical applications such as dispersion modeling for anthropogenic…”
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DFT/B3LYP study of the substituent effects on O H bond dissociation enthalpies of chroman derivatives in the gas phase and solvent environment by Najafi, Meysam, Nazarparvar, Elyas, Mood, Kaveh Haghighi, Zahedi, Mansour, Klein, Erik

“…In this paper, the study of various ortho and meta-substituted chroman-6-ol derivatives is presented. The O H bond dissociation enthalpies (BDE) related to…”
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